Glycoside
GD127662
Name:
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]-5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C32H38O18Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2ccc(C3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 710.64 | Num_heavy_atoms: | 50 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD48580
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
